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| CAS No.: | 252882-60-3 |
|---|---|
| Name: | 1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER |
| Molecular Structure: | |
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| Formula: | C17H22N2O3 |
| Molecular Weight: | 302.373 |
| Synonyms: | 1,2-Dihydro-2-oxo-spiro[3h-indole-3,4'-piperidine]-1'-carboxylic acid 1,1-dimethylethyl ester;1'-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine];tert-Butyl 2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate; |
| Density: | 1.22 g/cm3 |
| Boiling Point: | 475.6 °C at 760 mmHg |
| Flash Point: | 241.4 °C |
| PSA: | 58.64000 |
| LogP: | 2.98330 |
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Specification
The Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid, 1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester, with the CAS registry number 252882-60-3, is also known as 1'-Boc-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine]. This chemical's molecular formula is C17H22N2O3 and molecular weight is 302.37. What's more, its systematic name is tert-butyl 2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate.
Physical properties of Spiro[3H-indole-3,4'-piperidine]-1'-carboxylicacid, 1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 64.79; (6)ACD/BCF (pH 7.4): 64.79; (7)ACD/KOC (pH 5.5): 689.1; (8)ACD/KOC (pH 7.4): 689.11; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.64 Å2; (13)Index of Refraction: 1.586; (14)Molar Refractivity: 83.11 cm3; (15)Molar Volume: 247.4 cm3; (16)Polarizability: 32.95×10-24cm3; (17)Surface Tension: 51 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 241.4 °C; (20)Enthalpy of Vaporization: 73.91 kJ/mol; (21)Boiling Point: 475.6 °C at 760 mmHg; (22)Vapour Pressure: 3.28E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N1CCC3(CC1)C(=O)Nc2ccccc23
(2)Std. InChI: InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-8-17(9-11-19)12-6-4-5-7-13(12)18-14(17)20/h4-7H,8-11H2,1-3H3,(H,18,20)
(3)Std. InChIKey: YEJCWMVHDBKPBN-UHFFFAOYSA-N